Molecule

ID:46490

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H19NO.ClH/c1-2-6-15(7-3-1)16-8-4-5-9-17(16)19-13-14-10-11-18-12-14;/h1-9,14,18H,10-13H2;1H
InChIKey
FBRCAXVBKZEYAZ-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1ccccc1c1ccccc1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)cccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.07542618
LogD (pH = 7.4)
0.083183765
Log P
3.164147
Molar Refractivity
77.932
Polarizability
32.08388
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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